(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one

C20H21NO3 — CID 7280995

IUPAC(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
SMILESCCCN1C(=O)[C@@](O)(CC(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-2-12-21-18-11-7-6-10-17(18)20(24,19(21)23)14-16(22)13-15-8-4-3-5-9-15/h3-11,24H,2,12-14H2,1H3/t20-/m1/s1
InChIKeyQGEGXPVRDHRTCS-HXUWFJFHSA-N
MW323.39 g/mol
LogP2.83
Rot. Bonds6

About (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one

(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one (PubChem CID 7280995) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
PubChem CID7280995
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
SMILESCCCN1C(=O)[C@@](O)(CC(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-2-12-21-18-11-7-6-10-17(18)20(24,19(21)23)14-16(22)13-15-8-4-3-5-9-15/h3-11,24H,2,12-14H2,1H3/t20-/m1/s1
InChIKeyQGEGXPVRDHRTCS-HXUWFJFHSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
CID 7280973
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1-propylindol-2-one
CID 4209086
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 163207336
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 2977337
(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 7280994
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162524
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3S)-1-hexyl-3-hydroxy-3-[(2S)-2-hydroxypropyl]indol-2-one
CID 9177416
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one (CID 7280995) is (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one is CCCN1C(=O)[C@@](O)(CC(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one?
The InChIKey is QGEGXPVRDHRTCS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-12-21-18-11-7-6-10-17(18)20(24,19(21)23)14-16(22)13-15-8-4-3-5-9-15/h3-11,24H,2,12-14H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one?
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one has a molecular weight of 323.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one is sourced from PubChem (CID 7280995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).